Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3349919

COc1ccc(C(CC2(O)CCCCC2)N(C)C)cc1.Cl

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 11/20 0.56
SLC6A4 known ✓ P31645 10/20 0.56
SLC6A3 known ✓ Q01959 9/20 0.56
HTR2A known ✓ P28223 1/20 0.54
HRH1 known ✓ P35367 1/20 0.54
HRH3 known ✓ Q9Y5N1 1/20 0.54
CACNA1F known ✓ O60840 1/20 0.42
CACNA1D known ✓ Q01668 1/20 0.42
CACNA1S known ✓ Q13698 1/20 0.42
CACNA1C known ✓ Q13936 1/20 0.42
OPRM1 known ✓ P35372 1/20 0.41
OPRD1 known ✓ P41143 1/20 0.41
LMNA P02545 1/20 0.54
CNR1 P21554 1/20 0.54
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL4739317 1.00 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL2761798 0.99 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL902225 0.99 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL4967524 0.99 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL902452 0.82 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL8028845 0.82 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL8028820 0.82 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL4111320 0.81 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL4627006 0.81 OPRM1 (0.39) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL4632472 0.81 CHRNB2 (0.43) SLC6A2SLC6A4SLC6A3LMNAHRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125698-A1 DEUTERATED VENLAFAXINES AND 0-DESMETHYLVENLAFAXINES WITH SEROTONINERGIC AND /OR NOREPINEPHRINERGIC ACTIVITY Auspex Pharmaceuticals, Inc. (US) 2009-12-02 EP claimed
WO-2008140859-A1 DEUTERATED VENLAFAXINES AND 0-DESMETYLVENLAFAXINES WITH SEROTONINERGIC AND / OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2008-11-20 WO claimed
WO-2015063791-A1 NOVEL PROCESS FOR TOTAL SYNTHESIS OF VENLAFAXINE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-05-07 WO disclosed
WO-2010046808-A2 A PROCESS FOR THE PREPARATION OF VENLAFAXINE HYDROCHLORIDE ALEMBIC LIMITED (IN) 2010-04-29 WO disclosed
EP-2081885-A2 IMPROVED PROCESSES FOR PREPARING VENLAFAXINE BASE AND SALTS THEREOF Medichem, S.A. (ES) 2009-07-29 EP disclosed
EP-1957470-A1 PROCESS FOR SELECTIVE SYNTHESIS OF ENANTIOMERS OF SUBSTITUTED 1-(2-AMINO-1-PHENYL-ETHYL)-CYCLOHEXANOLS Wyeth (US) 2008-08-20 EP disclosed
WO-2008038146-A2 IMPROVED PROCESSES FOR PREPARING VANLAFAXINE BASE AND SALTS THEREOF MEDICHEM, S.A. (US) 2008-04-03 WO disclosed
EP-1684689-A4 EXTENDED RELEASE VENLAFAXINE FORMULATION ANDRX PHARMACEUTICALS LLC (US) 2007-11-28 EP disclosed
EP-1824815-A2 PROCESS FOR THE PREPARATION OF HIGHLY PURE 1-[2-DIMETHYLAMINO-(4-METHOXYPHENYL) ETHYL]CYCLOHEXANOL HYDROCHLORIDE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-08-29 EP disclosed
EP-1824815-A2 PROCESS FOR THE PREPARATION OF HIGHLY PURE 1-[2-DIMETHYLAMINO-(4-METHOXYPHENYL) ETHYL]CYCLOHEXANOL HYDROCHLORIDE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-08-29 EP disclosed
WO-2007047972-A3 PROCESS FOR THE PREPARATION OF HIGHLY PURE 1-[2-DIMETHYLAMINO-(4-METHOXYPHENYL) ETHYL]CYCLOHEXANOL HYDROCHLORIDE TEVA PHARMA (IL) 2007-06-21 WO disclosed
WO-2007067501-A1 PROCESS FOR SELECTIVE SYNTHESIS OF ENANTIOMERS OF SUBSTITUTED 1-(2-AMINO-1-PHENYL-ETHYL)-CYCLOHEXANOLS WYETH (US) 2007-06-14 WO disclosed
US-20070129562-A1 Process for the preparation of highly pure 1-[2- dimethylamino-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride TEVA PHARMACEUTICALS USA, INC. 2007-06-07 US disclosed
US-20070129562-A1 Process for the preparation of highly pure 1-[2- dimethylamino-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride TEVA PHARMACEUTICALS USA, INC. 2007-06-07 US disclosed
US-20070129562-A1 Process for the preparation of highly pure 1-[2- dimethylamino-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride TEVA PHARMACEUTICALS USA, INC. 2007-06-07 US disclosed
WO-2007047972-A2 PROCESS FOR THE PREPARATION OF HIGHLY PURE 1-[2-DIMETHYLAMINO-(4-METHOXYPHENYL) ETHYL]CYCLOHEXANOL HYDROCHLORIDE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-04-26 WO disclosed
WO-2007047972-A2 PROCESS FOR THE PREPARATION OF HIGHLY PURE 1-[2-DIMETHYLAMINO-(4-METHOXYPHENYL) ETHYL]CYCLOHEXANOL HYDROCHLORIDE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-04-26 WO disclosed
EP-1684689-A2 EXTENDED RELEASE VENLAFAXINE FORMULATION ANDRX Pharmaceuticals LLC. (US) 2006-08-02 EP disclosed
WO-2005048923-A2 EXTENDED RELEASE VENLAFAXINE FORMULATION ANDRX PHARMACEUTICALS, LLC (US) 2005-06-02 WO disclosed
WO-2003050074-A1 MANUFACTURE OF VENLAFAXINE HYDROCHLORIDE AND CRYSTALLINE POLYMORPHS THEREOF CADILA HEALTHCARE LIMITED (IN) 2003-06-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070129562-A1 Process for the preparation of highly pure 1-[2- dimethylamino-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride HTR1F, CYP2F1, HTR1A SLC6A2 49/4885SLC6A4 68/4885SLC6A3 92/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.